Chemical Properties of 2-Chloropropionic acid, 3,5-difluophenyl ester

InChI

InChI=1S/C9H7ClF2O2/c1-5(10)9(13)14-8-3-6(11)2-7(12)4-8/h2-5H,1H3

InChI Key

IKRUDTQLJRNXAM-UHFFFAOYSA-N

Formula

C9H7ClF2O2

SMILES

CC(Cl)C(=O)Oc1cc(F)cc(F)c1

Molecular Weight¹

220.60

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-519.86	kJ/mol	Joback Calculated Property
ΔfH°gas	-673.54	kJ/mol	Joback Calculated Property
ΔfusH°	21.95	kJ/mol	Joback Calculated Property
ΔvapH°	50.75	kJ/mol	Joback Calculated Property
log10WS	-3.13		Crippen Calculated Property
logPoct/wat	2.498		Crippen Calculated Property
McVol	137.130	ml/mol	McGowan Calculated Property
Pc	2909.25	kPa	Joback Calculated Property
Inp	[1234.00; 1234.00]
Inp	1234.00		NIST
Inp	1234.00		NIST
Tboil	553.78	K	Joback Calculated Property
Tc	760.06	K	Joback Calculated Property
Tfus	330.91	K	Joback Calculated Property
Vc	0.534	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[297.10; 351.01]	J/mol×K	[553.78; 760.06]
Cp,gas	297.10	J/mol×K	553.78	Joback Calculated Property
Cp,gas	307.49	J/mol×K	588.16	Joback Calculated Property
Cp,gas	317.30	J/mol×K	622.54	Joback Calculated Property
Cp,gas	326.56	J/mol×K	656.92	Joback Calculated Property
Cp,gas	335.26	J/mol×K	691.30	Joback Calculated Property
Cp,gas	343.40	J/mol×K	725.68	Joback Calculated Property
Cp,gas	351.01	J/mol×K	760.06	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Chloropropionic acid, 3,5-difluophenyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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